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Chemical structure of Adenosine antagonist-1

GC35249

Adenosine antagonist-1

Also known as 3-[5-(2-methylimidazol-1-yl)-2-(pyrazin-2-ylamino)-1,3-thiazol-4-yl]benzonitrile

Adenosine antagonist-1 is an adenosine A3 receptor (AA3R) antagonist

ChemicalCAS431040-19-6MW359.41FormulaC18H13N7S
CAS number
431040-19-6
Molecular weight
359.41
Formula
C18H13N7S
Solubility
Soluble in DMSO
InChIKey
YNGFNKUXMJZNCR-UHFFFAOYSA-N
Catalogue number
GC35249
Brand
GLPBIO
Computed properties PubChem CID 10291948 · XLogP 2.9 · TPSA 121 Ų · H-bond donors 1
XLogP
2.9
TPSA
121 Ų
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
26

SMILES CC1=NC=CN1C2=C(N=C(S2)NC3=NC=CN=C3)C4=CC=CC(=C4)C#N

Computed descriptors from PubChem (CID 10291948), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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